CKDkb: a knowledge base and platform for drug development against non-alcoholic fatty liver disease

Structure:

CMap ID:	C00823
Pert ID:	BRD-K74763371
Compound Name:	bosentan
Targets:	EDNRA\|EDNRB
MoA:	endothelin receptor antagonist
SMILES:	COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
InchiKey:
Compound Aliases:

The GSE89632 and GSE126848 datasets are hepatic gene expression profiles of nonalcoholic fatty liver disease (NAFLD).
Score ID	Pert ID	Cell Line	Pert Dose	Pert Time	Raw Score (GSE126848)	Normalized Score (GSE126848)	fdr_q_nlog10 (GSE126848)	Raw Score (GSE135251)	Normalized Score (GSE135251)	fdr_q_nlog10 (GSE135251)
51177	BRD-K74763371	VCAP	10 uM	6 h	0.0	0.0	0.0	0.0	0.0	0.0
91452	BRD-K74763371	HUH7	6.66 uM	72 h	0.0	0.0	0.0	0.0	0.0	0.0
127013	BRD-K74763371	A375	3.33 uM	24 h	-0.26	-1.09	0.31	0.0	0.0	0.0
127093	BRD-K74763371	HELA	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
127131	BRD-K74763371	HT29	3.33 uM	24 h	-0.17	-0.71	0.0	0.33	1.16	0.9
127205	BRD-K74763371	MCF??7.00	10 uM	24 h	0.0	0.0	0.0	-0.26	-0.88	0.26
127232	BRD-K74763371	PC3	10 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
127307	BRD-K74763371	YAPC	0.04 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
135035	BRD-K74763371	A549	0.01 uM	24 h	0.0	0.0	0.0	0.29	1.04	0.54
135078	BRD-K74763371	HA1E	0.01 uM	24 h	0.25	1.05	0.16	0.0	0.0	0.0
135101	BRD-K74763371	HEK293	0.74 uM	24 h	0.0	0.0	0.0	0.2	0.71	0.02
135165	BRD-K74763371	JURKAT	0.01 uM	24 h	0.0	0.0	0.0	-0.48	-1.6	15.65
135200	BRD-K74763371	MCF10A	2.22 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0
135254	BRD-K74763371	MDAMB231	0.25 uM	24 h	0.0	0.0	0.0	0.27	0.96	0.33
135303	BRD-K74763371	THP1	0.74 uM	24 h	0.0	0.0	0.0	0.0	0.0	0.0

Summary